ParScale stands for “Particle Scale Models”, and is a publicly available library to simulate intra-particle transport phenomena, e.g., heat or mass transfer, as well as homogeneous and heterogeneous reactions in porous particles.
For example, the rate of oxidation of porous metal particles suspended by a hot gas stream can be predicted by ParScale.
Stefan Radl from TUG is the "brain" behind ParScale. ParScale is designed as an add-on to the soft-sphere particle simulation tool LIGGGHTS®. ParScale can be run in stand-alone mode for predicting, e.g., the chemical conversion of particles, fitting of model parameters to experimental data, or optimization studies of reactive particulate systems.It can be run in coupled mode to LIGGGHTS®, and CFDEM®coupling.
Key reference for ParScale - please cite this paper when using ParScale
Parts of the code were developed in the frame of the NanoSim project funded by the European Commission through FP7 Grant agreement no. 604656.